1-[(3-chloro-2-fluorophenyl)methyl]-2,3-dihydroindol-6-amine

C15H14ClFN2 — CID 102856206

IUPAC1-[(3-chloro-2-fluorophenyl)methyl]-2,3-dihydroindol-6-amine
SMILESNc1ccc2c(c1)N(Cc1cccc(Cl)c1F)CC2
InChIInChI=1S/C15H14ClFN2/c16-13-3-1-2-11(15(13)17)9-19-7-6-10-4-5-12(18)8-14(10)19/h1-5,8H,6-7,9,18H2
InChIKeyKYCKCIMQYQVBFY-UHFFFAOYSA-N
MW276.74 g/mol
LogP3.62
Rot. Bonds2

About 1-[(3-chloro-2-fluorophenyl)methyl]-2,3-dihydroindol-6-amine

1-[(3-chloro-2-fluorophenyl)methyl]-2,3-dihydroindol-6-amine (PubChem CID 102856206) has the molecular formula C15H14ClFN2 and a molecular weight of 276.74 g/mol. Its IUPAC name is 1-[(3-chloro-2-fluorophenyl)methyl]-2,3-dihydroindol-6-amine.

Molecular Properties

Compound Name1-[(3-chloro-2-fluorophenyl)methyl]-2,3-dihydroindol-6-amine
PubChem CID102856206
Molecular FormulaC15H14ClFN2
Molecular Weight276.74 g/mol
Exact Mass276.08
IUPAC Name1-[(3-chloro-2-fluorophenyl)methyl]-2,3-dihydroindol-6-amine
SMILESNc1ccc2c(c1)N(Cc1cccc(Cl)c1F)CC2
InChIInChI=1S/C15H14ClFN2/c16-13-3-1-2-11(15(13)17)9-19-7-6-10-4-5-12(18)8-14(10)19/h1-5,8H,6-7,9,18H2
InChIKeyKYCKCIMQYQVBFY-UHFFFAOYSA-N
XLogP3.62
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.74
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-Chloroindoline
CID 117596
[3-(5-Chloro-2,3-dihydroindol-1-yl)phenyl]methanamine
CID 13324725
[3-[(5-Chloro-2,3-dihydroindol-1-yl)methyl]phenyl]methanamine
CID 13324736
1-methyl-2,3-dihydro-1H-indol-6-amine dihydrochloride
CID 86767571
5-Chloro-1-(4-fluorophenyl)-3-(1,2,3,6-tetrahydropyridin-4-yl)-2,3-dihydroindole
CID 134990369
5-Chloro-7-fluoro-2-phenylindoline
CID 3319955
4-Chloro-1-(4-fluorophenyl)-2,3-dihydroindole
CID 9881378
1-[1-[2-(4-Fluorophenyl)ethyl]piperidin-4-yl]-2-methyl-2,3-dihydroindol-6-amine
CID 18427431
1-(3-Amino-4-fluorophenyl)indoline
CID 21297666
5-Chloro-6-fluoro-1-propan-2-yl-2,3-dihydroindole
CID 21338502
1-[1-(4-Fluorophenethyl)piperidin-4-yl]-6-aminoindoline
CID 22037919
1-[1-(4-Fluorophenethyl)piperdin-4-yl]-5-chloro-6-aminoindoline
CID 22038099

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-2-fluorophenyl)methyl]-2,3-dihydroindol-6-amine?
The IUPAC name of 1-[(3-chloro-2-fluorophenyl)methyl]-2,3-dihydroindol-6-amine (CID 102856206) is 1-[(3-chloro-2-fluorophenyl)methyl]-2,3-dihydroindol-6-amine.
What is the SMILES notation for 1-[(3-chloro-2-fluorophenyl)methyl]-2,3-dihydroindol-6-amine?
The canonical SMILES for 1-[(3-chloro-2-fluorophenyl)methyl]-2,3-dihydroindol-6-amine is Nc1ccc2c(c1)N(Cc1cccc(Cl)c1F)CC2.
What is the InChIKey of 1-[(3-chloro-2-fluorophenyl)methyl]-2,3-dihydroindol-6-amine?
The InChIKey is KYCKCIMQYQVBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2/c16-13-3-1-2-11(15(13)17)9-19-7-6-10-4-5-12(18)8-14(10)19/h1-5,8H,6-7,9,18H2.
What are the key properties of 1-[(3-chloro-2-fluorophenyl)methyl]-2,3-dihydroindol-6-amine?
1-[(3-chloro-2-fluorophenyl)methyl]-2,3-dihydroindol-6-amine has a molecular weight of 276.74 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-2-fluorophenyl)methyl]-2,3-dihydroindol-6-amine is sourced from PubChem (CID 102856206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).